ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-phenylmethoxy-propanoyl]amino]-4-cyclohexyloxy-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-phenylmethoxy-propanoyl]amino]-4-cyclohexyloxy-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-benzyloxy-propanoyl]amino]-4-(cyclohexoxy)-4-oxo-butanoyl]amino]-5-guanidino-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylmethoxypropyl]amino]-4-cyclohexyloxy-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-phenylmethoxypropanoyl]amino]-4-cyclohexyloxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-benzoxy-propanoyl]amino]-4-(cyclohexoxy)-4-keto-butanoyl]amino]-5-guanidino-valeric acid ethyl ester Formula: C36H57N7O9 MolecularWeight: 731.87928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(COCC1=CC=CC=C1)C(=O)NC(CC(=O)OC2CCCCC2)C(=O)NC(CCCN=C(N)N)C(=O)OCC)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)OC2CCCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)OCC)NC(=O)C

InChI

InChI=1S/C36H57N7O9/c1-5-23(3)31(40-24(4)44)34(48)43-29(22-50-21-25-14-9-7-10-15-25)33(47)42-28(20-30(45)52-26-16-11-8-12-17-26)32(46)41-27(35(49)51-6-2)18-13-19-39-36(37)38/h7,9-10,14-15,23,26-29,31H,5-6,8,11-13,16-22H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)(H,43,48)(H4,37,38,39)/t23-,27-,28-,29-,31-/m0/s1