N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-(acetylamino)-L-phenylalanyl-4-(acetylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-D-Alaninamide
[CAS# 170157-13-8]

Identification

• Name: N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-(acetylamino)-L-phenylalanyl-4-(acetylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-D-Alaninamide
• Synonyms: D-Alaninamide, N-Acetyl-3-(2-Naphthalenyl)-D-Alanyl-4-Chloro-D-Phenylalanyl-3-(3-Pyridinyl)-D-Alanyl-L-Seryl-4-(Acetylamino)-L-Phenylalanyl-4-(Acetylamino)-D-Phenylalanyl-L-Leucyl-N6-(1-Methylethyl)-L-Lysyl-L-Prolyl-
• Molecular Formula: C₈₀H₁₀₂ClN₁₅O₁₄
• Molecular Weight: 1533.23
• CAS Registry Number: 170157-13-8
• SMILES: [C@](C(=O)N(C([C@@H](NC([C@H](N)CC1=CC=C(C=C1)NC(=O)C)=O)CC(C)C)=O)C([C@@H](N)CC2=CC=C(C=C2)NC(=O)C)=O)(N(C([C@H]3N(CCC3)C([C@@H](N)CCCCNC(C)C)=O)=O)C([C@@H](NC([C@H](N)CC4=CC=CN=C4)=O)CO)=O)(CC([C@H](NC(=O)C)CC6=CC=C5C=CC=CC5=C6)=O)C([C@H](N)CC7=CC=C(C=C7)Cl)=O
• InChI: 1S/C80H102ClN15O14/c1-46(2)36-67(92-72(103)63(84)39-52-22-29-59(30-23-52)89-48(5)98)76(107)95(75(106)65(86)40-53-24-31-60(32-25-53)90-49(6)99)79(110)80(71(102)62(83)38-51-20-27-58(81)28-21-51,43-70(101)66(91-50(7)100)42-54-19-26-56-15-8-9-16-57(56)37-54)96(77(108)68(45-97)93-73(104)64(85)41-55-14-12-33-87-44-55)78(109)69-18-13-35-94(69)74(105)61(82)17-10-11-34-88-47(3)4/h8-9,12,14-16,19-33,37,44,46-47,61-69,88,97H,10-11,13,17-18,34-36,38-43,45,82-86H2,1-7H3,(H,89,98)(H,90,99)(H,91,100)(H,92,103)(H,93,104)/t61-,62+,63+,64+,65-,66+,67-,68-,69-,80-/m0/s1
• InChIKey: ZXNBPOVHHHCHMF-VEDXMUPRSA-N

Properties

• Density: 1.307g/cm³ (Cal.)