(3S)-3-[2-[[(2R)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2R)-2-[2-(2-azanylethanoylamino)ethanoylamino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-(3-azanylpropylsulfanyl)propanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butanoic acid

Systemtic Name: (3S)-3-[2-[[(2R)-2-[[(2S)-1-[(2S)-4-azanyl-2-[[(2R)-2-[2-(2-azanylethanoylamino)ethanoylamino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-(3-azanylpropylsulfanyl)propanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butanoic acid Openeye Name: (3S)-3-[[2-[[(2R)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-3-(3-aminopropylsulfanyl)propanoyl]amino]acetyl]amino]-4-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2R)-2-[[[(2S)-1-[(2S)-4-amino-2-[[(2R)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(3-aminopropylthio)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2R)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-(3-aminopropylsulfanyl)propanoyl]amino]acetyl]amino]-4-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2R)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2R)-2-[[2-(glycylamino)acetyl]amino]-3-mercapto-propanoyl]amino]-4-keto-butanoyl]prolyl]amino]-3-(3-aminopropylthio)propanoyl]amino]acetyl]amino]-4-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-4-keto-butyric acid Formula: C31H51N11O13S3 MolecularWeight: 881.99754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)N)NC(=O)C(CS)NC(=O)CNC(=O)CN)C(=O)NC(CSCCCN)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CSCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C31H51N11O13S3/c32-4-2-6-58-14-19(26(49)36-11-24(46)37-15(8-25(47)48)27(50)40-18(13-57)31(54)55)41-29(52)20-3-1-5-42(20)30(53)16(7-21(34)43)39-28(51)17(12-56)38-23(45)10-35-22(44)9-33/h15-20,56-57H,1-14,32-33H2,(H2,34,43)(H,35,44)(H,36,49)(H,37,46)(H,38,45)(H,39,51)(H,40,50)(H,41,52)(H,47,48)(H,54,55)/t15-,16-,17-,18-,19-,20-/m0/s1