(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]prolyl]prolyl]prolyl]amino]-4-(methylthio)butanoyl]amino]-3-mercapto-propionic acid Formula: C37H60N10O12S3 MolecularWeight: 933.1271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(CCSC)C(=O)NC(CS)C(=O)O)NC(=O)C(C)NC(=O)C(CS)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C37H60N10O12S3/c1-18(40-30(51)20(38)16-60)29(50)44-28(19(2)48)33(54)42-22(15-27(39)49)34(55)46-12-5-8-25(46)36(57)47-13-6-9-26(47)35(56)45-11-4-7-24(45)32(53)41-21(10-14-62-3)31(52)43-23(17-61)37(58)59/h18-26,28,48,60-61H,4-17,38H2,1-3H3,(H2,39,49)(H,40,51)(H,41,53)(H,42,54)(H,43,52)(H,44,50)(H,58,59)/t18-,19+,20-,21-,22-,23-,24-,25-,26-,28-/m0/s1