N-[1-[[1-[[1-[[2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-1-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[[1-[[1-[[2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-1-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-[(2-amino-3-hydroxy-propanoyl)amino]-5-guanidino-pentanoyl]-N-[2-[[2-[[1-benzyl-2-[[2-[(1-carbamoyl-3-methyl-butyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]-N-[1-[[1-[[1-[[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-[(2-amino-3-hydroxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]-N-[1-[[1-[[1-[[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-[(2-amino-3-hydroxy-propanoyl)amino]-5-guanidino-pentanoyl]-N-[2-[[2-[[1-benzyl-2-[[2-[(1-carbamoyl-3-methyl-butyl)amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C43H64N12O11 MolecularWeight: 925.04206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C(CO)N

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C(CO)N

InChI

InChI=1S/C43H64N12O11/c1-24(2)18-30(36(45)60)50-35(59)21-49-38(62)31(19-25-8-4-3-5-9-25)52-40(64)33(23-57)54-39(63)32(20-26-12-14-27(58)15-13-26)53-41(65)34-11-7-17-55(34)42(66)29(10-6-16-48-43(46)47)51-37(61)28(44)22-56/h3-5,8-9,12-15,24,28-34,56-58H,6-7,10-11,16-23,44H2,1-2H3,(H2,45,60)(H,49,62)(H,50,59)(H,51,61)(H,52,64)(H,53,65)(H,54,63)(H4,46,47,48)