(3S)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-1-[[(1S,2S)-1-tert-butoxycarbonyl-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]amino]-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-[[(1S,2S)-1-tert-butoxycarbonyl-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]amino]-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-butyric acid Formula: C44H57N7O9 MolecularWeight: 827.96488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C44H57N7O9/c1-6-26(2)37(41(57)60-44(3,4)5)51-38(54)33(21-14-22-47-42(45)46)48-40(56)35(24-36(52)53)49-39(55)34(23-27-15-8-7-9-16-27)50-43(58)59-25-32-30-19-12-10-17-28(30)29-18-11-13-20-31(29)32/h7-13,15-20,26,32-35,37H,6,14,21-25H2,1-5H3,(H,48,56)(H,49,55)(H,50,58)(H,51,54)(H,52,53)(H4,45,46,47)/t26-,33-,34-,35-,37-/m0/s1