Pyroglutamyl-seryl-valyl-prolyl-threonyl-phenylalanyl-threonyl-prolyl-arginyl-leucinamide
[CAS# 151812-20-3]

Identification

• Name: Pyroglutamyl-seryl-valyl-prolyl-threonyl-phenylalanyl-threonyl-prolyl-arginyl-leucinamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S,2R)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)-2-[[(1S,2R)-1-[(2S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Hydroxy-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Methyl-Propyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-2-[[(1S)-1-[[(2S)-2-[[[(1S,2R)-1-[[[(1S)-2-[[(1S,2R)-1-[[[(1S)-2-[[(1S,2R)-1-[[(2S)-2-[[[(1S)-1-[[[(1S)-1-Carbamoyl-3-Methylbutyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-2-Hydroxypropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-2-Hydroxypropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-2-Hydroxypropyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-2-Methylpropyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S,2R)-1-[[(1S)-1-(Benzyl)-2-[[(1S,2R)-1-[[(1S)-1-(Benzyl)-2-[[(1S,2R)-1-[(2S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Hydroxy-Propyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Methyl-Propyl]Amino]-2-Keto-1-Methylol-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₆₅H₉₈N₁₆O₁₇
• Molecular Weight: 1375.59
• CAS Registry Number: 151812-20-3
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2NC(=O)CC2)CO)C(C)C)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4[C@@H](CCC4)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)[C@H](O)C)CC5=CC=CC=C5)[C@H](O)C
• InChI: 1S/C65H98N16O17/c1-33(2)29-42(53(66)87)72-54(88)40(21-14-26-69-65(67)68)71-59(93)46-22-15-28-81(46)64(98)52(37(7)85)79-57(91)44(31-39-19-12-9-13-20-39)74-61(95)50(35(5)83)77-56(90)43(30-38-17-10-8-11-18-38)73-62(96)51(36(6)84)78-60(94)47-23-16-27-80(47)63(97)49(34(3)4)76-58(92)45(32-82)75-55(89)41-24-25-48(86)70-41/h8-13,17-20,33-37,40-47,49-52,82-85H,14-16,21-32H2,1-7H3,(H2,66,87)(H,70,86)(H,71,93)(H,72,88)(H,73,96)(H,74,95)(H,75,89)(H,76,92)(H,77,90)(H,78,94)(H,79,91)(H4,67,68,69)/t35-,36-,37-,40+,41+,42+,43+,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1
• InChIKey: PEDXAQWKKDRGQL-RKKUXNHQSA-N

Properties

• Density: 1.462g/cm³ (Cal.)