(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S,3S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S,3S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C36H61N11O13 MolecularWeight: 855.93544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CO)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](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)N

InChI

InChI=1S/C36H61N11O13/c1-8-18(6)28(45-25(52)12-39-32(55)26(16(2)3)46-30(53)21(37)13-48)35(58)47-29(19(7)50)33(56)40-11-24(51)44-27(17(4)5)34(57)43-23(14-49)31(54)42-22(36(59)60)9-20-10-38-15-41-20/h10,15-19,21-23,26-29,48-50H,8-9,11-14,37H2,1-7H3,(H,38,41)(H,39,55)(H,40,56)(H,42,54)(H,43,57)(H,44,51)(H,45,52)(H,46,53)(H,47,58)(H,59,60)/t18-,19+,21-,22-,23-,26-,27-,28-,29-/m0/s1