(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-hydroxy-5-oxopentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid Formula: C36H63N9O14 MolecularWeight: 845.93732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C36H63N9O14/c1-6-19(4)29(44-31(53)21(38)10-12-27(49)50)35(57)45-30(20(5)46)34(56)40-17-25(47)41-22(11-13-28(51)52)32(54)39-16-26(48)42-24(15-18(2)3)33(55)43-23(36(58)59)9-7-8-14-37/h18-24,29-30,46H,6-17,37-38H2,1-5H3,(H,39,54)(H,40,56)(H,41,47)(H,42,48)(H,43,55)(H,44,53)(H,45,57)(H,49,50)(H,51,52)(H,58,59)/t19-,20+,21-,22-,23-,24-,29-,30-/m0/s1