5(g)-tasp

Structural Information

Molecular Formula

C₅₇H₁₀₂N₂₀O₁₈S

SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCCCNC(=O)CN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)CN)NC(=O)CN)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C57H102N20O18S/c58-20-6-1-12-37(74-52(89)36(70-46(82)30-63)15-4-9-23-66-44(80)28-61)53(90)72-35(14-3-8-22-65-43(79)27-60)51(88)69-32-48(84)77-25-11-17-41(77)56(93)76-38(16-5-10-24-67-45(81)29-62)54(91)75-39(18-19-49(85)86)55(92)73-34(13-2-7-21-64-42(78)26-59)50(87)68-31-47(83)71-40(33-96)57(94)95/h34-41,96H,1-33,58-63H2,(H,64,78)(H,65,79)(H,66,80)(H,67,81)(H,68,87)(H,69,88)(H,70,82)(H,71,83)(H,72,90)(H,73,92)(H,74,89)(H,75,91)(H,76,93)(H,85,86)(H,94,95)/t34-,35-,36-,37-,38-,39-,40-,41-/m0/s1

InChIKey

LIURFFIZKGQQQO-PVEGFDORSA-N

Compound name

(4S)-4-[[(2S)-6-[(2-aminoacetyl)amino]-2-[[(2S)-1-[2-[[(2S)-6-[(2-aminoacetyl)amino]-2-[[(2S)-6-amino-2-[[(2S)-2,6-bis[(2-aminoacetyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-[[(2S)-6-[(2-aminoacetyl)amino]-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 488931