(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[2-[2-[[(2R)-2-azanyl-3-ethanoylsulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[2-[2-[[(2R)-2-azanyl-3-ethanoylsulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2R)-3-acetylsulfanyl-2-amino-propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-amino-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2R)-3-(acetylthio)-2-amino-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2R)-3-acetylsulfanyl-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[(2R)-3-(acetylthio)-2-amino-propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-amino-5-keto-pentanoyl]prolyl]prolyl]amino]-3-methyl-butyric acid Formula: C38H59N11O16S MolecularWeight: 958.00416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CSC(=O)C)N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSC(=O)C)N

InChI

InChI=1S/C38H59N11O16S/c1-18(2)31(38(64)65)47-35(61)24-6-4-10-48(24)37(63)25-7-5-11-49(25)36(62)21(8-9-26(40)52)45-34(60)23(16-50)46-33(59)22(12-30(56)57)44-29(55)15-42-27(53)13-41-28(54)14-43-32(58)20(39)17-66-19(3)51/h18,20-25,31,50H,4-17,39H2,1-3H3,(H2,40,52)(H,41,54)(H,42,53)(H,43,58)(H,44,55)(H,45,60)(H,46,59)(H,47,61)(H,56,57)(H,64,65)/t20-,21-,22-,23-,24-,25-,31-/m0/s1