4-[2,6-bis(azanyl)hexanoylamino]-5-[[4-oxidanyl-1,4-bis(oxidanylidene)-1-[2,3,4-tris(phenylmethoxycarbonyl)-2,3-bis(phenylmethyl)pyrrolidin-1-yl]butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2,6-bis(azanyl)hexanoylamino]-5-[[4-oxidanyl-1,4-bis(oxidanylidene)-1-[2,3,4-tris(phenylmethoxycarbonyl)-2,3-bis(phenylmethyl)pyrrolidin-1-yl]butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(2,6-diaminohexanoylamino)-5-[[1-[2,3-dibenzyl-2,3,4-tris(benzyloxycarbonyl)pyrrolidine-1-carbonyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2,6-diamino-1-oxohexyl)amino]-5-[[4-hydroxy-1,4-dioxo-1-[2,3,4-tris(phenylmethoxycarbonyl)-2,3-bis(phenylmethyl)-1-pyrrolidinyl]butan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-(2,6-diaminohexanoylamino)-5-[[1-[2,3-dibenzyl-2,3,4-tris(phenylmethoxycarbonyl)pyrrolidin-1-yl]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-(2,6-diaminohexanoylamino)-5-[[1-(2,3-dibenzyl-2,3,4-tricarbobenzoxy-pyrrolidine-1-carbonyl)-3-hydroxy-3-keto-propyl]amino]-5-keto-valeric acid Formula: C57H63N5O13 MolecularWeight: 1026.13582

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1C(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)N)(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1C(C(C(N1C(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)N)(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C57H63N5O13/c58-31-17-16-28-45(59)50(67)60-46(29-30-48(63)64)51(68)61-47(32-49(65)66)52(69)62-35-44(53(70)73-36-41-22-10-3-11-23-41)56(33-39-18-6-1-7-19-39,54(71)74-37-42-24-12-4-13-25-42)57(62,34-40-20-8-2-9-21-40)55(72)75-38-43-26-14-5-15-27-43/h1-15,18-27,44-47H,16-17,28-38,58-59H2,(H,60,67)(H,61,68)(H,63,64)(H,65,66)