N-[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-(2-azanylpropanoyl)amino]-3-oxidanyl-propanoyl]-N-[5-[bis(azanyl)methylideneamino]-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl-propyl-amino]-1-oxidanylidene-pentan-2-yl]-4-methyl-2-(methylamino)pentanamide

Systemtic Name: N-[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-(2-azanylpropanoyl)amino]-3-oxidanyl-propanoyl]-N-[5-[bis(azanyl)methylideneamino]-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl-propyl-amino]-1-oxidanylidene-pentan-2-yl]-4-methyl-2-(methylamino)pentanamide Openeye Name: N-[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-(2-aminopropanoyl)amino]-3-hydroxy-propanoyl]-N-[1-[1-tert-butoxyvinyl(propyl)carbamoyl]-4-guanidino-butyl]-4-methyl-2-(methylamino)pentanamide CAS Name: N-[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-(2-amino-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]-N-[5-(diaminomethylideneamino)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl-propylamino]-1-oxopentan-2-yl]-4-methyl-2-(methylamino)pentanamide IUPAC Name: N-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-(2-aminopropanoyl)amino]-3-hydroxypropanoyl]-N-[5-(diaminomethylideneamino)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl-propylamino]-1-oxopentan-2-yl]-4-methyl-2-(methylamino)pentanamide Traditional Name: N-[2-[alanyl-[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]-N-[1-[1-tert-butoxyvinyl(propyl)carbamoyl]-4-guanidino-butyl]-4-methyl-2-(methylamino)valeramide Formula: C40H68N10O10 MolecularWeight: 849.02892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=C)OC(C)(C)C)C(=O)C(CCCN=C(N)N)N(C(=O)C(CC(C)C)NC)C(=O)C(CO)N(C(=O)C(C)N)C(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)N

Isomeric SMILES

CCCN(C(=C)OC(C)(C)C)C(=O)C(CCCN=C(N)N)N(C(=O)C(CC(C)C)NC)C(=O)C(CO)N(C(=O)C(C)N)C(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)N

InChI

InChI=1S/C40H68N10O10/c1-10-18-48(25(5)60-40(6,7)8)37(58)31(12-11-17-46-39(43)44)49(35(56)29(45-9)19-23(2)3)38(59)32(22-52)50(34(55)24(4)41)36(57)30(47-33(54)28(42)21-51)20-26-13-15-27(53)16-14-26/h13-16,23-24,28-32,45,51-53H,5,10-12,17-22,41-42H2,1-4,6-9H3,(H,47,54)(H4,43,44,46)