Pyr-His-Trp-Ser-Tyr-D-Lys-Leu-Arg-Pro-Gly-NH2
[CAS# 52671-12-2]

Identification

• Name: Pyr-His-Trp-Ser-Tyr-D-Lys-Leu-Arg-Pro-Gly-NH2
• Synonyms: N-[2-[[2-[[(1S)-2-[[(1S)-2-[[(1R)-5-Amino-1-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]Pentyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; N-[2-[[2-[[(1S)-2-[[(1S)-2-[[(1R)-5-Amino-1-[[[(1S)-1-[[[(1S)-1-[[(2S)-2-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]Pentyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; N-[2-[[2-[[(1S)-2-[[(1S)-2-[[(1R)-5-Amino-1-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-Amino-2-Keto-Ethyl)Carbamoyl]Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]Pentyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₉H₈₄N₁₈O₁₃
• Molecular Weight: 1253.43
• CAS Registry Number: 52671-12-2
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C2NC(=O)CC2)CC3=CN=C[NH]3)CC4=C[NH]C5=CC=CC=C45)CO)CC6=CC=C(O)C=C6)CCCCN)CC(C)C)CCCN=C(N)N)C(=O)NCC(=O)N
• InChI: 1S/C59H84N18O13/c1-32(2)23-42(52(84)71-41(12-7-21-65-59(62)63)58(90)77-22-8-13-47(77)57(89)67-29-48(61)80)72-50(82)39(11-5-6-20-60)70-53(85)43(24-33-14-16-36(79)17-15-33)73-56(88)46(30-78)76-54(86)44(25-34-27-66-38-10-4-3-9-37(34)38)74-55(87)45(26-35-28-64-31-68-35)75-51(83)40-18-19-49(81)69-40/h3-4,9-10,14-17,27-28,31-32,39-47,66,78-79H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H2,61,80)(H,64,68)(H,67,89)(H,69,81)(H,70,85)(H,71,84)(H,72,82)(H,73,88)(H,74,87)(H,75,83)(H,76,86)(H4,62,63,65)/t39-,40?,41+,42+,43+,44?,45?,46+,47+/m1/s1
• InChIKey: HOWBSMILMYIFKQ-CTGKPQBXSA-N

Properties

• Density: 1.514g/cm³ (Cal.)