methyl (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2R)-2-[[(2S)-2-(hexadecanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2R)-2-[[(2S)-2-(hexadecanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[(2S)-5-guanidino-2-[[(2R)-2-[[(2S)-2-(hexadecanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-(1-oxohexadecylamino)propyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-(hexadecanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-palmitamido-propanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C49H72N10O6 MolecularWeight: 897.15938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C49H72N10O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-27-44(60)56-42(31-37-33-52-34-55-37)47(63)58-41(29-35-22-16-15-17-23-35)46(62)57-40(26-21-28-53-49(50)51)45(61)59-43(48(64)65-2)30-36-32-54-39-25-20-19-24-38(36)39/h15-17,19-20,22-25,32-34,40-43,54H,3-14,18,21,26-31H2,1-2H3,(H,52,55)(H,56,60)(H,57,62)(H,58,63)(H,59,61)(H4,50,51,53)/t40-,41+,42-,43-/m0/s1