(2S)-2-[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-oxidanylpropanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-cyclopentyl-ethanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonyloxypropanoic acid

Systemtic Name: (2S)-2-[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-oxidanylpropanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-cyclopentyl-ethanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonyloxypropanoic acid Openeye Name: (2S)-2-[1-[(2S)-2-[[(2S)-2-cyclopentyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-guanidino-2-[[(2S)-2-hydroxypropanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]oxypropanoic acid CAS Name: (2S)-2-[[1-[(2S)-2-[[(2S)-2-cyclopentyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-hydroxy-1-oxopropyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethoxy]propanoic acid IUPAC Name: (2S)-2-[1-[(2S)-2-[[(2S)-2-cyclopentyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]oxypropanoic acid Traditional Name: (2S)-2-[1-[(2S)-2-[[(2S)-2-cyclopentyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-guanidino-2-[[(2S)-2-hydroxypropanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]oxypropionic acid Formula: C44H65N11O12 MolecularWeight: 940.0534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C2CCCC2)C(=O)NC(CC3=CN=CN3)C(=O)N4CCCC4C(=O)OC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C2CCCC2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N4CCCC4C(=O)O[C@@H](C)C(=O)O)O

InChI

InChI=1S/C44H65N11O12/c1-23(2)34(53-37(59)30(50-36(58)24(3)56)11-7-17-48-44(45)46)39(61)51-31(19-26-13-15-29(57)16-14-26)38(60)54-35(27-9-5-6-10-27)40(62)52-32(20-28-21-47-22-49-28)41(63)55-18-8-12-33(55)43(66)67-25(4)42(64)65/h13-16,21-25,27,30-35,56-57H,5-12,17-20H2,1-4H3,(H,47,49)(H,50,58)(H,51,61)(H,52,62)(H,53,59)(H,54,60)(H,64,65)(H4,45,46,48)/t24-,25-,30-,31-,32-,33?,34-,35-/m0/s1