Dimethyl 5-[[(2S)-1-[[(2S)-1-[(2R)-2-Amino-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Amino]Benzene-1,3-Dicarboxylate
[CAS# 74503-72-3]

Identification

• Name: Dimethyl 5-[[(2S)-1-[[(2S)-1-[(2R)-2-Amino-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Amino]Benzene-1,3-Dicarboxylate
• Synonyms: Dimethyl 5-[[(1S)-1-[[(2S)-1-[(2R)-2-Amino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Carbamoyl]-4-Guanidino-Butyl]Amino]Benzene-1,3-Dicarboxylate; 5-[[(1S)-1-[[[[(2S)-1-[(2R)-2-Amino-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]Benzene-1,3-Dicarboxylic Acid Dimethyl Ester; 5-[[(1S)-1-[[(2S)-1-[(2R)-2-Amino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Carbamoyl]-4-Guanidino-Butyl]Amino]Benzene-1,3-Dicarboxylic Acid Dimethyl Ester
• Molecular Formula: C₃₀H₃₉N₇O₇
• Molecular Weight: 609.68
• CAS Registry Number: 74503-72-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H](N)CC2=CC=CC=C2)C(=O)NC(=O)[C@@H](NC3=CC(=CC(=C3)C(OC)=O)C(OC)=O)CCCN=C(N)N
• InChI: 1S/C30H39N7O7/c1-43-28(41)19-15-20(29(42)44-2)17-21(16-19)35-23(10-6-12-34-30(32)33)25(38)36-26(39)24-11-7-13-37(24)27(40)22(31)14-18-8-4-3-5-9-18/h3-5,8-9,15-17,22-24,35H,6-7,10-14,31H2,1-2H3,(H4,32,33,34)(H,36,38,39)/t22-,23+,24+/m1/s1
• InChIKey: GYYNJNKGUIYHTB-SGNDLWITSA-N

Properties

• Density: 1.38g/cm³ (Cal.)