N-Acetyl-L-norleucyl-N-(4-hydroxyphenyl)-L-glutaminyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophylglycinamide
[CAS# 130333-59-4]

Identification

• Name: N-Acetyl-L-norleucyl-N-(4-hydroxyphenyl)-L-glutaminyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophylglycinamide
• Synonyms: (2S)-N-[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-2-[[2-[[(2S)-2-Acetamidohexanoyl]Amino]-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-2-[(4-Hydroxyphenyl)Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1R)-2-[[(1S)-1-[[[(1S)-2-[[2-[[(2S)-2-Acetamido-1-Oxohexyl]Amino]-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-2-[(4-Hydroxyphenyl)Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-2-[[2-[[(2S)-2-Acetamidohexanoyl]Amino]-2-Keto-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-2-[(4-Hydroxyphenyl)Amino]Glutaramide
• Molecular Formula: C₅₃H₆₉N₁₅O₁₀
• Molecular Weight: 1076.22
• CAS Registry Number: 130333-59-4
• SMILES: [C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=CC=C(O)C=C1)CCC(=O)N)CC2N=CN=C2)CC3=CC=CC=C3)(CCCN=C(N)N)C(=O)N[C@@H](CC4=C[NH]C5=CC=CC=C45)C(=O)NCC(=O)NC(=O)[C@@H](NC(=O)C)CCCC
• InChI: 1S/C53H69N15O10/c1-3-4-14-39(62-31(2)69)50(76)68-46(72)29-60-47(73)43(25-33-27-59-38-15-9-8-13-37(33)38)66-48(74)40(16-10-23-58-53(55)56)64-51(77)42(24-32-11-6-5-7-12-32)65-52(78)44(26-35-28-57-30-61-35)67-49(75)41(21-22-45(54)71)63-34-17-19-36(70)20-18-34/h5-9,11-13,15,17-20,27-28,30,35,39-44,59,63,70H,3-4,10,14,16,21-26,29H2,1-2H3,(H2,54,71)(H,60,73)(H,62,69)(H,64,77)(H,65,78)(H,66,74)(H,67,75)(H4,55,56,58)(H,68,72,76)/t35?,39-,40-,41-,42+,43-,44-/m0/s1
• InChIKey: IAMUXBVVHDUNHK-AOOVVNKTSA-N

Properties

• Density: 1.422g/cm³ (Cal.)