2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-aminophenyl)propanoyl]amino]-2-cyclohexyl-ethanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-[2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]pentanedioic acid

Systemtic Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-aminophenyl)propanoyl]amino]-2-cyclohexyl-ethanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-[2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]pentanedioic acid Openeye Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-aminophenyl)propanoyl]amino]-2-cyclohexyl-acetyl]amino]-5-guanidino-pentanoyl]-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-ethyl]amino]pentanedioic acid CAS Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-aminophenyl)-1-oxopropyl]amino]-2-cyclohexyl-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-[2-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-aminophenyl)propanoyl]amino]-2-cyclohexylacetyl]amino]-5-(diaminomethylideneamino)pentanoyl]-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]amino]pentanedioic acid Traditional Name: 2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-aminophenyl)propanoyl]amino]-2-cyclohexyl-acetyl]amino]-5-guanidino-pentanoyl]-[2-[(2S)-2-carbamoylpyrrolidino]-2-keto-ethyl]amino]glutaric acid Formula: C37H56N10O10 MolecularWeight: 800.90154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)N)C(=O)NC(C2CCCCC2)C(=O)NC(CCCN=C(N)N)C(=O)N(CC(=O)N3CCCC3C(=O)N)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=C(C=C1)N)C(=O)N[C@@H](C2CCCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CC(=O)N3CCC[C@H]3C(=O)N)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C37H56N10O10/c1-21(48)43-26(19-22-11-13-24(38)14-12-22)33(53)45-31(23-7-3-2-4-8-23)34(54)44-25(9-5-17-42-37(40)41)35(55)47(28(36(56)57)15-16-30(50)51)20-29(49)46-18-6-10-27(46)32(39)52/h11-14,23,25-28,31H,2-10,15-20,38H2,1H3,(H2,39,52)(H,43,48)(H,44,54)(H,45,53)(H,50,51)(H,56,57)(H4,40,41,42)/t25-,26+,27-,28?,31-/m0/s1