2-[[1-[2-[[2-[2-[[5-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[1-[2-[[2-[2-[[5-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[2-[[2-[[2-[[5-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-[2-[[2-[[2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-[2-[[2-[[2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[2-[[2-[[2-[[5-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-4-methyl-valeric acid Formula: C36H57N11O11 MolecularWeight: 819.90488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C36H57N11O11/c1-19(2)15-25(35(57)58)45-33(55)27-6-4-14-47(27)34(56)26(18-48)46-32(54)24(16-20-7-9-21(49)10-8-20)43-29(51)17-42-31(53)23(11-12-28(38)50)44-30(52)22(37)5-3-13-41-36(39)40/h7-10,19,22-27,48-49H,3-6,11-18,37H2,1-2H3,(H2,38,50)(H,42,53)(H,43,51)(H,44,52)(H,45,55)(H,46,54)(H,57,58)(H4,39,40,41)