(2R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-cyclohexyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2R)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyclohexyl-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-cyclohexylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]pentanoyl]prolyl]amino]-3-cyclohexyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-valeric acid Formula: C45H65N11O7 MolecularWeight: 872.0671

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C4CCCN4C(=O)C(CCCN)NC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN)NC(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C45H65N11O7/c46-21-9-18-34(52-39(57)32(47)24-28-12-3-1-4-13-28)43(61)56-23-11-20-38(56)42(60)55-36(25-29-14-5-2-6-15-29)40(58)54-37(26-30-27-51-33-17-8-7-16-31(30)33)41(59)53-35(44(62)63)19-10-22-50-45(48)49/h1,3-4,7-8,12-13,16-17,27,29,32,34-38,51H,2,5-6,9-11,14-15,18-26,46-47H2,(H,52,57)(H,53,59)(H,54,58)(H,55,60)(H,62,63)(H4,48,49,50)/t32-,34-,35+,36?,37-,38-/m0/s1