N2-(3-Hydroxy-10-Methyldecanoyl)-D-Asn-D-Val-D-Val-L-Asn-D-Asn-[(4R)-4-Hydroxy-L-Lys-]-D-Athr-L-Ser-D-Trp-D-Aile-OH
[CAS# 55467-31-7]

Identification

• Name: N2-(3-Hydroxy-10-Methyldecanoyl)-D-Asn-D-Val-D-Val-L-Asn-D-Asn-[(4R)-4-Hydroxy-L-Lys-]-D-Athr-L-Ser-D-Trp-D-Aile-OH
• Synonyms: (3R)-2-[[2-[[2-[[(3R)-2-[[6-Amino-2-[[4-Amino-2-[[4-Amino-2-[[2-[[2-[[4-Amino-2-[(3-Hydroxy-9-Methyl-Decanoyl)Amino]-4-Oxo-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Oxo-Butanoyl]Amino]-4-Oxo-Butanoyl]Amino]-4-Hydroxy-Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Methyl-Pentanoic Acid; (3R)-2-[[2-[[2-[[(3R)-2-[[6-Amino-2-[[4-Amino-2-[[4-Amino-2-[[2-[[2-[[4-Amino-2-[(3-Hydroxy-9-Methyl-1-Oxodecyl)Amino]-1,4-Dioxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1,4-Dioxobutyl]Amino]-1,4-Dioxobutyl]Amino]-4-Hydroxy-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-3-Methylpentanoic Acid; (3R)-2-[[2-[[2-[[(3R)-2-[[6-Amino-2-[[4-Amino-2-[[4-Amino-2-[[2-[[2-[[4-Amino-2-[(3-Hydroxy-9-Methyl-Decanoyl)Amino]-4-Keto-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Keto-Butanoyl]Amino]-4-Keto-Butanoyl]Amino]-4-Hydroxy-Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Methyl-Valeric Acid
• Molecular Formula: C₆₃H₁₀₃N₁₅O₁₉
• Molecular Weight: 1374.60
• CAS Registry Number: 55467-31-7
• SMILES: [C@H](O)(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCC(C)C)CC(=O)N)C(C)C)C(C)C)CC(=O)N)CC(=O)N)CC(O)CCN)C(=O)NC(C(=O)NC(CC1=C[NH]C2=C1C=CC=C2)C(=O)NC(C(O)=O)[C@@H](CC)C)CO)C
• InChI: 1S/C63H103N15O19/c1-10-33(8)52(63(96)97)77-56(89)40(22-35-28-68-39-19-15-14-18-38(35)39)70-59(92)45(29-79)74-62(95)53(34(9)80)78-57(90)41(23-37(82)20-21-64)71-54(87)43(26-47(66)84)72-55(88)44(27-48(67)85)73-60(93)50(31(4)5)76-61(94)51(32(6)7)75-58(91)42(25-46(65)83)69-49(86)24-36(81)17-13-11-12-16-30(2)3/h14-15,18-19,28,30-34,36-37,40-45,50-53,68,79-82H,10-13,16-17,20-27,29,64H2,1-9H3,(H2,65,83)(H2,66,84)(H2,67,85)(H,69,86)(H,70,92)(H,71,87)(H,72,88)(H,73,93)(H,74,95)(H,75,91)(H,76,94)(H,77,89)(H,78,90)(H,96,97)/t33-,34-,36?,37?,40?,41?,42?,43?,44?,45?,50?,51?,52?,53?/m1/s1
• InChIKey: FJMFWIVNMAFUOP-MEIKFJLBSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 1796.863°C at 760 mmHg (Cal.)
• Flash point: 1040.505°C (Cal.)