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

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid Formula: C39H70N10O14 MolecularWeight: 903.0317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)N)O

InChI

InChI=1S/C39H70N10O14/c1-17(2)28(49-38(61)30(19(5)6)48-33(56)23(13-14-26(52)53)44-35(58)27(41)22(9)51)36(59)43-20(7)31(54)46-25(16-50)34(57)42-21(8)32(55)47-29(18(3)4)37(60)45-24(39(62)63)12-10-11-15-40/h17-25,27-30,50-51H,10-16,40-41H2,1-9H3,(H,42,57)(H,43,59)(H,44,58)(H,45,60)(H,46,54)(H,47,55)(H,48,56)(H,49,61)(H,52,53)(H,62,63)/t20-,21-,22+,23-,24-,25-,27-,28-,29-,30-/m0/s1