(2S)-6-azanyl-2-[[(2S,7S)-8-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-8-oxidanylidene-2,7-bis[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]amino]octanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S,7S)-8-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-8-oxidanylidene-2,7-bis[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]amino]octanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S,7S)-8-[[(1S)-5-amino-1-carboxy-pentyl]amino]-2,7-bis[[(2S)-5-hydroxy-2-[[(2S)-5-hydroxy-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-5-oxo-pentanoyl]amino]-8-oxo-octanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S,7S)-8-[[(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]amino]-2,7-bis[[(2S)-5-hydroxy-2-[[(2S)-5-hydroxy-1,5-dioxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1,5-dioxopentyl]amino]-1,8-dioxooctyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S,7S)-8-[[(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]amino]-2,7-bis[[(2S)-5-hydroxy-2-[[(2S)-5-hydroxy-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-8-oxooctanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S,7S)-8-[[(1S)-5-amino-1-carboxy-pentyl]amino]-2,7-bis[[(2S)-5-hydroxy-2-[[(2S)-5-hydroxy-5-keto-2-[[(2S)-5-ketoprolyl]amino]pentanoyl]amino]-5-keto-pentanoyl]amino]-8-keto-octanoyl]amino]hexanoic acid Formula: C50H78N12O22 MolecularWeight: 1199.22152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C2CCC(=O)N2)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C50H78N12O22/c51-23-5-3-9-33(49(81)82)61-41(73)25(55-45(77)29(13-19-37(65)66)59-47(79)31(15-21-39(69)70)57-43(75)27-11-17-35(63)53-27)7-1-2-8-26(42(74)62-34(50(83)84)10-4-6-24-52)56-46(78)30(14-20-38(67)68)60-48(80)32(16-22-40(71)72)58-44(76)28-12-18-36(64)54-28/h25-34H,1-24,51-52H2,(H,53,63)(H,54,64)(H,55,77)(H,56,78)(H,57,75)(H,58,76)(H,59,79)(H,60,80)(H,61,73)(H,62,74)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,81,82)(H,83,84)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1