Nh2-ile-ala-asp-arg-pro-arg-ala-trp-ile-gly-ser-pro-cooh

Structural Information

Molecular Formula

C₆₀H₉₅N₁₉O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)O)N

InChI

InChI=1S/C60H95N19O16/c1-7-30(3)46(61)54(90)71-33(6)49(85)76-40(26-45(82)83)51(87)74-38(18-12-22-67-60(64)65)56(92)78-23-13-19-42(78)53(89)73-37(17-11-21-66-59(62)63)50(86)70-32(5)48(84)75-39(25-34-27-68-36-16-10-9-15-35(34)36)52(88)77-47(31(4)8-2)55(91)69-28-44(81)72-41(29-80)57(93)79-24-14-20-43(79)58(94)95/h9-10,15-16,27,30-33,37-43,46-47,68,80H,7-8,11-14,17-26,28-29,61H2,1-6H3,(H,69,91)(H,70,86)(H,71,90)(H,72,81)(H,73,89)(H,74,87)(H,75,84)(H,76,85)(H,77,88)(H,82,83)(H,94,95)(H4,62,63,66)(H4,64,65,67)/t30-,31-,32-,33-,37-,38-,39-,40-,41-,42-,43-,46-,47-/m0/s1

InChIKey

ZXGSIXBFKZETEF-WRQOOTKSSA-N

Compound name

(2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 6481392