(4S)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(3R)-4-cyclohexyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[[(2S)-3-cyclohexyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(3R)-4-cyclohexyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[[(2S)-3-cyclohexyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(3R)-3-(benzyloxycarbonylamino)-4-cyclohexyl-2-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[(1S)-1-(cyclohexylmethyl)-2-hydroxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(3R)-4-cyclohexyl-1,2-dioxo-3-(phenylmethoxycarbonylamino)butyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-[[(2S)-3-cyclohexyl-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-3-cyclohexyl-1-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(3R)-4-cyclohexyl-2-oxo-3-(phenylmethoxycarbonylamino)butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(3R)-3-(benzyloxycarbonylamino)-4-cyclohexyl-2-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[(1S)-1-(cyclohexylmethyl)-2-hydroxy-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C38H57N7O10 MolecularWeight: 771.90008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC2CCCCC2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C[C@H](C(=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2CCCCC2)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C38H57N7O10/c39-37(40)41-20-10-17-27(33(49)42-28(18-19-31(46)47)34(50)44-30(36(52)53)22-25-13-6-2-7-14-25)43-35(51)32(48)29(21-24-11-4-1-5-12-24)45-38(54)55-23-26-15-8-3-9-16-26/h3,8-9,15-16,24-25,27-30H,1-2,4-7,10-14,17-23H2,(H,42,49)(H,43,51)(H,44,50)(H,45,54)(H,46,47)(H,52,53)(H4,39,40,41)/t27-,28-,29+,30-/m0/s1