nesiritide (CHEBI:135919)

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CHEBI:135919 - nesiritide

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ChEBI ID	CHEBI:135919
ChEBI Name	nesiritide
Stars
Last Modified	23 February 2017
Downloads	Molfile

Formula	C143H244N50O42S4
Net Charge	0
Average Mass	3464.101
Monoisotopic Mass	3461.73771
SMILES	[H]N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cncn2)C(=O)O)C(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C
InChI	InChI=1S/C143H244N50O42S4/c1-13-76(10)112-137(232)189-99(68-199)131(226)188-98(67-198)130(225)187-97(66-197)129(224)186-96(65-196)117(212)166-59-105(202)169-90(52-72(2)3)114(209)163-61-107(204)171-100(132(227)177-83(32-19-22-44-146)124(219)190-111(75(8)9)136(231)184-91(53-73(4)5)127(222)175-84(34-24-46-159-141(151)152)121(216)174-85(35-25-47-160-142(153)154)122(217)185-94(139(234)235)55-78-57-157-71-167-78)69-238-239-70-101(172-108(205)62-165-116(211)95(64-195)170-106(203)60-162-113(208)87(38-39-103(148)200)181-135(230)110(74(6)7)191-126(221)89(41-51-237-12)179-120(215)82(31-18-21-43-145)180-134(229)102-37-27-49-193(102)138(233)79(147)63-194)133(228)182-92(54-77-28-15-14-16-29-77)115(210)164-58-104(201)168-80(33-23-45-158-140(149)150)118(213)173-81(30-17-20-42-144)119(214)178-88(40-50-236-11)123(218)183-93(56-109(206)207)128(223)176-86(125(220)192-112)36-26-48-161-143(155)156/h14-16,28-29,57,71-76,79-102,110-112,194-199H,13,17-27,30-56,58-70,144-147H2,1-12H3,(H2,148,200)(H,157,167)(H,162,208)(H,163,209)(H,164,210)(H,165,211)(H,166,212)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,213)(H,174,216)(H,175,222)(H,176,223)(H,177,227)(H,178,214)(H,179,215)(H,180,229)(H,181,230)(H,182,228)(H,183,218)(H,184,231)(H,185,217)(H,186,224)(H,187,225)(H,188,226)(H,189,232)(H,190,219)(H,191,221)(H,192,220)(H,206,207)(H,234,235)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-,112-/m0/s1
InChIKey	HPNRHPKXQZSDFX-OAQDCNSJSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	anti-obesity agent Any substance which is used to reduce or control weight.
Applications:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. hypoglycemic agent A drug which lowers the blood glucose level. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. renoprotective agent Any compound that is able to prevent damage to the kidneys. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

ChEBI Ontology

Outgoing Relation(s)
	nesiritide (CHEBI:135919) has role anti-obesity agent (CHEBI:74518)
	nesiritide (CHEBI:135919) has role antihypertensive agent (CHEBI:35674)
	nesiritide (CHEBI:135919) has role antineoplastic agent (CHEBI:35610)
	nesiritide (CHEBI:135919) has role cardiovascular drug (CHEBI:35554)
	nesiritide (CHEBI:135919) has role hypoglycemic agent (CHEBI:35526)
	nesiritide (CHEBI:135919) has role renoprotective agent (CHEBI:231911)
	nesiritide (CHEBI:135919) is a polypeptide (CHEBI:15841)

INN	Source
nesiritida	WHO MedNet

Synonyms	Source
Bnp-32	ChEMBL
Brain natriuretic peptide 32	ChEMBL
Brain natriuretic peptide-32	DrugCentral
C01DX19	ChEMBL
Human brain natriuretic factor-32	DrugCentral
Human brain natriuretic peptide-32	DrugCentral

Brand Name	Source
Natrecor	ChEMBL

Manual Xrefs	Databases
1901	DrugCentral

Registry Numbers	Sources
CAS:124584-08-3	DrugCentral

Citations