(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]penta

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]penta Openeye Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[[(2S)-1-[(2S)-5-amino-2-[[[(2S)-1-[(2S)-6-amino-2-[[[(2S)-1-[(2S)-5-amino-2-[[[(2S)-1-[(2S)-5-amino-1,5-dioxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-5-keto-2-[[(2S)-prolyl]amino]pentanoyl]prolyl]amino]-5-keto-pentanoyl]prolyl]amino]hexanoyl]prolyl]amino]-5-keto-pentanoyl]prolyl]amino]hexanoyl]prolyl]amino]-5-hydroxy-5-keto-pentanoyl]prolyl]amino]glutaric acid Formula: C72H113N19O22 MolecularWeight: 1596.78172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CCC(=O)N)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)N3CCCC3C(=O)NC(CCCCN)C(=O)N4CCCC4C(=O)NC(CCC(=O)N)C(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(CCC(=O)O)C(=O)N7CCCC7C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](NC1)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)N)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)O)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C72H113N19O22/c73-31-3-1-12-41(80-60(100)49-16-9-38-90(49)70(110)45(23-28-56(77)94)83-63(103)52-19-10-36-88(52)68(108)43(21-26-54(75)92)79-59(99)40-14-5-33-78-40)66(106)86-34-6-17-50(86)62(102)82-44(22-27-55(76)93)69(109)89-37-8-15-48(89)61(101)81-42(13-2-4-32-74)67(107)87-35-7-18-51(87)64(104)84-46(24-29-57(95)96)71(111)91-39-11-20-53(91)65(105)85-47(72(112)113)25-30-58(97)98/h40-53,78H,1-39,73-74H2,(H2,75,92)(H2,76,93)(H2,77,94)(H,79,99)(H,80,100)(H,81,101)(H,82,102)(H,83,103)(H,84,104)(H,85,105)(H,95,96)(H,97,98)(H,112,113)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1