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

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-1-[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-hydroxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S)-5-hydroxy-1,5-dioxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-hydroxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-hydroxy-5-keto-2-[[(2S)-prolyl]amino]pentanoyl]prolyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C50H74N12O18 MolecularWeight: 1131.19216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CCC(=O)O)NC(=O)C3CCCN3

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3

InChI

InChI=1S/C50H74N12O18/c1-25(2)22-34(46(75)56-31(14-18-40(67)68)45(74)59-33(50(79)80)13-17-38(52)65)61-47(76)35(23-27-8-10-28(63)11-9-27)60-42(71)26(3)55-39(66)24-54-43(72)30(12-16-37(51)64)57-48(77)36-7-5-21-62(36)49(78)32(15-19-41(69)70)58-44(73)29-6-4-20-53-29/h8-11,25-26,29-36,53,63H,4-7,12-24H2,1-3H3,(H2,51,64)(H2,52,65)(H,54,72)(H,55,66)(H,56,75)(H,57,77)(H,58,73)(H,59,74)(H,60,71)(H,61,76)(H,67,68)(H,69,70)(H,79,80)/t26-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1