2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[2-(3-azanyl-3-oxidanylidene-propanoyl)pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[2-(3-azanyl-3-oxidanylidene-propanoyl)pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide Openeye Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[2-(3-amino-3-oxo-propanoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]-4-methyl-pentanamide CAS Name: N-[1-[2-(3-amino-1,3-dioxopropyl)-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[2-(3-amino-3-oxopropanoyl)pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: N-[1-[2-(3-amino-3-keto-propanoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]-2-[[3-(4-hydroxyphenyl)-2-[[3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(tyrosylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methyl-valeramide Formula: C49H67N11O12 MolecularWeight: 1002.12278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C49H67N11O12/c1-27(2)21-36(44(68)55-35(5-3-19-54-49(52)53)48(72)60-20-4-6-40(60)41(65)25-42(51)66)56-45(69)37(23-29-9-15-32(63)16-10-29)57-46(70)38(24-30-11-17-33(64)18-12-30)58-47(71)39(26-61)59-43(67)34(50)22-28-7-13-31(62)14-8-28/h7-18,27,34-40,61-64H,3-6,19-26,50H2,1-2H3,(H2,51,66)(H,55,68)(H,56,69)(H,57,70)(H,58,71)(H,59,67)(H4,52,53,54)