(2R)-2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]-Iodoamino]-5-(2,5-Dioxopyrrol-1-Yl)-2-[(4-Hydroxyphenyl)Methyl]-3-Oxopentanoic Acid
[CAS# 138191-82-9]

Identification

• Name: (2R)-2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]-Iodoamino]-5-(2,5-Dioxopyrrol-1-Yl)-2-[(4-Hydroxyphenyl)Methyl]-3-Oxopentanoic Acid
• Synonyms: (2R)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]-Iodo-Amino]-5-(2,5-Dioxopyrrol-1-Yl)-2-[(4-Hydroxyphenyl)Methyl]-3-Oxo-Pentanoic Acid; (2R)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]-Iodoamino]-5-(2,5-Dioxo-1-Pyrrolyl)-2-[(4-Hydroxyphenyl)Methyl]-3-Oxopentanoic Acid; (2R)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]-Iodo-Amino]-2-(4-Hydroxybenzyl)-3-Keto-5-Maleimido-Valeric Acid
• Molecular Formula: C₂₂H₂₇IN₆O₇
• Molecular Weight: 614.40
• CAS Registry Number: 138191-82-9
• SMILES: [C@](N(I)C(=O)[C@@H](N)CCCN=C(N)N)(CC1=CC=C(O)C=C1)(C(=O)CCN2C(=O)C=CC2=O)C(O)=O
• InChI: 1S/C22H27IN6O7/c23-29(19(34)15(24)2-1-10-27-21(25)26)22(20(35)36,12-13-3-5-14(30)6-4-13)16(31)9-11-28-17(32)7-8-18(28)33/h3-8,15,30H,1-2,9-12,24H2,(H,35,36)(H4,25,26,27)/t15-,22+/m0/s1
• InChIKey: AFNHYMBYOPDLFG-OYHNWAKOSA-N