[r1k]12p1

Structural Information

Molecular Formula

C₆₃H₁₀₀N₁₆O₁₈S₂

SMILES

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

InChI

InChI=1S/C63H100N16O18S2/c1-8-32(3)50(77-53(86)37(65)16-12-13-23-64)61(94)75-43(28-47(66)81)57(90)73-44(29-48(67)82)58(91)78-51(33(4)9-2)62(95)79-24-14-18-46(79)60(93)74-42(27-35-30-68-38-17-11-10-15-36(35)38)56(89)76-45(31-80)59(92)71-39(19-20-49(83)84)54(87)69-34(5)52(85)70-40(21-25-98-6)55(88)72-41(63(96)97)22-26-99-7/h10-11,15,17,30,32-34,37,39-46,50-51,68,80H,8-9,12-14,16,18-29,31,64-65H2,1-7H3,(H2,66,81)(H2,67,82)(H,69,87)(H,70,85)(H,71,92)(H,72,88)(H,73,90)(H,74,93)(H,75,94)(H,76,89)(H,77,86)(H,78,91)(H,83,84)(H,96,97)/t32-,33-,34-,37-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-/m0/s1

InChIKey

JFBSCVULTMFXET-BQPUZZQOSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5496463