12p1(scrambled)

Structural Information

Molecular Formula

C₆₃H₁₀₀N₁₈O₁₈S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O)N

InChI

InChI=1S/C63H100N18O18S2/c1-8-31(3)49(66)61(97)81-23-13-17-45(81)59(95)71-33(5)51(87)80-50(32(4)9-2)60(96)75-40(21-25-101-7)54(90)73-38(18-19-48(85)86)53(89)77-42(27-46(64)83)58(94)74-39(20-24-100-6)55(91)76-41(26-34-29-70-36-15-11-10-14-35(34)36)56(92)78-43(28-47(65)84)57(93)72-37(16-12-22-69-63(67)68)52(88)79-44(30-82)62(98)99/h10-11,14-15,29,31-33,37-45,49-50,70,82H,8-9,12-13,16-28,30,66H2,1-7H3,(H2,64,83)(H2,65,84)(H,71,95)(H,72,93)(H,73,90)(H,74,94)(H,75,96)(H,76,91)(H,77,89)(H,78,92)(H,79,88)(H,80,87)(H,85,86)(H,98,99)(H4,67,68,69)/t31-,32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1

InChIKey

GEXFJYXOBSXAJM-HNTKOHIUSA-N

Compound name

(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5496467