4-azanyl-5-[[1-[[1-[[2-[[1-[[1-[[5-azanyl-1-[[4-oxidanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[1-[[1-[[2-[[1-[[1-[[5-azanyl-1-[[4-oxidanyl-1,4-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-[[1-[[2-[[2-[[1-[[4-amino-1-[[1-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-hydroxy-propyl]amino]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-[[1-[[2-[[1-[[1-[[5-amino-1-[[4-hydroxy-1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-[[1-[[2-[[1-[[1-[[5-amino-1-[[4-hydroxy-1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-[[1-[[2-[[2-[[1-[[4-amino-1-[[1-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-hydroxy-propyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C53H71N13O16 MolecularWeight: 1146.20834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)N)O

InChI

InChI=1S/C53H71N13O16/c1-29(67)44(51(80)62-35(20-21-40(55)68)47(76)64-38(27-43(72)73)49(78)65-39(52(81)82)26-32-16-9-4-10-17-32)66-50(79)36(24-30-12-5-2-6-13-30)60-41(69)28-59-46(75)34(18-11-23-58-53(56)57)61-48(77)37(25-31-14-7-3-8-15-31)63-45(74)33(54)19-22-42(70)71/h2-10,12-17,29,33-39,44,67H,11,18-28,54H2,1H3,(H2,55,68)(H,59,75)(H,60,69)(H,61,77)(H,62,80)(H,63,74)(H,64,76)(H,65,78)(H,66,79)(H,70,71)(H,72,73)(H,81,82)(H4,56,57,58)