(2S)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-cyclohexyl-2-[[(2S)-2-[cyclohexylmethyl(ethanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-cyclohexyl-2-[[(2S)-2-[cyclohexylmethyl(ethanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl(cyclohexylmethyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-cyclohexyl-acetyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl(cyclohexylmethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-cyclohexyl-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl(cyclohexylmethyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-cyclohexylacetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl(cyclohexylmethyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-cyclohexyl-acetyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Formula: C43H69N9O7 MolecularWeight: 824.06406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(C2CCCCC2)NC(=O)C(CC3=CC=C(C=C3)O)N(CC4CCCCC4)C(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N(CC4CCCCC4)C(=O)C

InChI

InChI=1S/C43H69N9O7/c1-27(2)24-34(42(59)51-23-11-17-35(51)38(44)55)49-39(56)33(16-10-22-47-43(45)46)48-41(58)37(31-14-8-5-9-15-31)50-40(57)36(25-29-18-20-32(54)21-19-29)52(28(3)53)26-30-12-6-4-7-13-30/h18-21,27,30-31,33-37,54H,4-17,22-26H2,1-3H3,(H2,44,55)(H,48,58)(H,49,56)(H,50,57)(H4,45,46,47)/t33-,34-,35-,36-,37-/m0/s1