(2S)-2-[[(2S,3R)-2-(3-acetamidopropanoylamino)-3-oxidanyl-butanoyl]amino]-N-[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]pentanediamide

Systemtic Name: (2S)-2-[[(2S,3R)-2-(3-acetamidopropanoylamino)-3-oxidanyl-butanoyl]amino]-N-[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]pentanediamide Openeye Name: (2S)-2-[[(2S,3R)-2-(3-acetamidopropanoylamino)-3-hydroxy-butanoyl]amino]-N-[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]pentanediamide CAS Name: (2S)-2-[[(2S,3R)-2-[(3-acetamido-1-oxopropyl)amino]-3-hydroxy-1-oxobutyl]amino]-N-[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide IUPAC Name: (2S)-2-[[(2S,3R)-2-(3-acetamidopropanoylamino)-3-hydroxybutanoyl]amino]-N-[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide Traditional Name: (2S)-2-[[(2S,3R)-2-(3-acetamidopropanoylamino)-3-hydroxy-butanoyl]amino]-N-[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]glutaramide Formula: C33H59N11O9 MolecularWeight: 753.88986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)CCNC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCNC(=O)C

InChI

InChI=1S/C33H59N11O9/c1-6-18(3)26(30(51)41-22(10-8-15-39-33(35)36)32(53)44-17-9-11-23(44)29(50)37-7-2)43-28(49)21(12-13-24(34)47)40-31(52)27(19(4)45)42-25(48)14-16-38-20(5)46/h18-19,21-23,26-27,45H,6-17H2,1-5H3,(H2,34,47)(H,37,50)(H,38,46)(H,40,52)(H,41,51)(H,42,48)(H,43,49)(H4,35,36,39)/t18-,19+,21-,22-,23-,26-,27-/m0/s1