1-Ala-9-leu-psi-(CH2NH)-10-leu-neuromedin C
[CAS# 135467-89-9]

Identification

• Name: 1-Ala-9-leu-psi-(CH2NH)-10-leu-neuromedin C
• Synonyms: (2S)-2-[[(2R)-2-Aminopropanoyl]Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(2S)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Amino]Methyl]-3-Methyl-Butyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Butanediamide; (2S)-2-[[(2R)-2-Amino-1-Oxopropyl]Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(2S)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-Methylbutyl]Amino]Methyl]-3-Methylbutyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Butanediamide; (2S)-2-(Alanylamino)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(2S)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-Methyl-Butyl]Amino]Methyl]-3-Methyl-Butyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Succinamide
• Molecular Formula: C₅₂H₇₉N₁₇O₁₀
• Molecular Weight: 1102.30
• CAS Registry Number: 135467-89-9
• SMILES: [C@H](N[C@@H](CC1=CN=C[NH]1)C(=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N)C)CC(=O)N)CC2=CN=C[NH]2)CC3=C[NH]C4=CC=CC=C34)C)C(C)C)(CC(C)C)CN[C@@H](CC(C)C)C(=O)N
• InChI: 1S/C52H79N17O10/c1-26(2)13-34(22-59-37(45(55)72)14-27(3)4)64-39(16-32-20-56-24-61-32)51(78)68-43(71)23-60-52(79)44(28(5)6)69-47(74)30(8)63-48(75)38(15-31-19-58-36-12-10-9-11-35(31)36)66-49(76)40(17-33-21-57-25-62-33)67-50(77)41(18-42(54)70)65-46(73)29(7)53/h9-12,19-21,24-30,34,37-41,44,58-59,64H,13-18,22-23,53H2,1-8H3,(H2,54,70)(H2,55,72)(H,56,61)(H,57,62)(H,60,79)(H,63,75)(H,65,73)(H,66,76)(H,67,77)(H,69,74)(H,68,71,78)/t29-,30+,34+,37+,38+,39+,40+,41+,44+/m1/s1
• InChIKey: VGHNJUJKXZEQLP-KSGNLDPESA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 1545.151°C at 760 mmHg (Cal.)
• Flash point: 888.275°C (Cal.)