Hkarv(p-no2-f)ea(nle)sh

Structural Information

Molecular Formula

C₅₈H₉₀N₂₀O₁₇

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CN=CN3)N

InChI

InChI=1S/C58H90N20O17/c1-6-7-11-38(52(87)76-44(27-79)55(90)75-43(57(92)93)24-35-26-64-29-67-35)70-47(82)32(5)69-51(86)41(18-19-45(80)81)73-54(89)42(22-33-14-16-36(17-15-33)78(94)95)74-56(91)46(30(2)3)77-53(88)40(13-10-21-65-58(61)62)71-48(83)31(4)68-50(85)39(12-8-9-20-59)72-49(84)37(60)23-34-25-63-28-66-34/h14-17,25-26,28-32,37-44,46,79H,6-13,18-24,27,59-60H2,1-5H3,(H,63,66)(H,64,67)(H,68,85)(H,69,86)(H,70,82)(H,71,83)(H,72,84)(H,73,89)(H,74,91)(H,75,90)(H,76,87)(H,77,88)(H,80,81)(H,92,93)(H4,61,62,65)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,44-,46-/m0/s1

InChIKey

OUFKONCHWOZCTK-VXQHJHSXSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 477692