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

Systemtic Name: (2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-5-amino-2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-5-keto-pentanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butyric acid Formula: C44H68N10O13 MolecularWeight: 945.06992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)N)O

InChI

InChI=1S/C44H68N10O13/c1-22(2)20-30(38(60)48-28(14-16-33(46)57)37(59)52-36(24(5)55)44(66)67)50-41(63)35(23(3)4)51-40(62)32-9-7-19-54(32)43(65)29(15-17-34(47)58)49-39(61)31-8-6-18-53(31)42(64)27(45)21-25-10-12-26(56)13-11-25/h10-13,22-24,27-32,35-36,55-56H,6-9,14-21,45H2,1-5H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,61)(H,50,63)(H,51,62)(H,52,59)(H,66,67)/t24-,27+,28+,29+,30+,31+,32+,35+,36+/m1/s1