(2S)-2-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]propanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]succinic acid Formula: C39H54N10O14 MolecularWeight: 886.90466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CN=CN3)N

InChI

InChI=1S/C39H54N10O14/c1-4-19(2)32(37(60)42-17-29(51)45-25(12-21-7-9-23(50)10-8-21)35(58)47-27(39(62)63)15-31(54)55)48-36(59)28-6-5-11-49(28)38(61)20(3)44-34(57)26(14-30(52)53)46-33(56)24(40)13-22-16-41-18-43-22/h7-10,16,18-20,24-28,32,50H,4-6,11-15,17,40H2,1-3H3,(H,41,43)(H,42,60)(H,44,57)(H,45,51)(H,46,56)(H,47,58)(H,48,59)(H,52,53)(H,54,55)(H,62,63)/t19-,20-,24-,25-,26-,27-,28-,32-/m0/s1