Fmoc-ile-arg-lys-ile-leu-(s)phe-leu-asp-gly-nh2

Structural Information

Molecular Formula

C₆₅H₉₆N₁₄O₁₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N)SC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)OCC2=CC3=C(C=C2)C4=CC=CC=C4C3

InChI

InChI=1S/C65H96N14O13S/c1-9-38(7)53(60(88)75-49(30-37(5)6)59(87)79-63(93-43-20-12-11-13-21-43)62(90)76-48(29-36(3)4)58(86)74-50(33-52(81)82)55(83)71-34-51(67)80)77-57(85)46(23-16-17-27-66)72-56(84)47(24-18-28-70-64(68)69)73-61(89)54(39(8)10-2)78-65(91)92-35-40-25-26-45-42(31-40)32-41-19-14-15-22-44(41)45/h11-15,19-22,25-26,31,36-39,46-50,53-54,63H,9-10,16-18,23-24,27-30,32-35,66H2,1-8H3,(H2,67,80)(H,71,83)(H,72,84)(H,73,89)(H,74,86)(H,75,88)(H,76,90)(H,77,85)(H,78,91)(H,79,87)(H,81,82)(H4,68,69,70)/t38-,39-,46-,47-,48-,49-,50-,53-,54-,63-/m0/s1

InChIKey

ZPTPPCWLPANKRR-QTTSJYMRSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-(9H-fluoren-2-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2-phenylsulfanylacetyl]amino]-4-methylpentanoyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutanoic acid

Related CIDs

• CID 5481017