(2S)-1-[(2S)-1-[(2R)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-1-[(2R)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-1-[(2R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[(2S)-1-[(2R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-1-[(2R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-1-[(2R)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-mercapto-propanoyl]prolyl]proline Formula: C36H61N11O12S2 MolecularWeight: 904.06604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CS)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CS)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C36H61N11O12S2/c1-18(41-31(53)22(10-11-26(39)49)43-32(54)21(7-3-4-12-37)42-30(52)20(38)16-60)29(51)40-15-27(50)45-28(19(2)48)33(55)44-23(17-61)34(56)46-13-5-8-24(46)35(57)47-14-6-9-25(47)36(58)59/h18-25,28,48,60-61H,3-17,37-38H2,1-2H3,(H2,39,49)(H,40,51)(H,41,53)(H,42,52)(H,43,54)(H,44,55)(H,45,50)(H,58,59)/t18-,19+,20-,21-,22-,23-,24-,25-,28-/m0/s1