[m12a]12p1

Structural Information

Molecular Formula

C₆₁H₉₆N₁₈O₁₈S

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](C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C61H96N18O18S/c1-8-29(3)47(77-50(86)35(62)15-12-21-67-61(65)66)58(94)75-40(25-44(63)81)54(90)73-41(26-45(64)82)55(91)78-48(30(4)9-2)59(95)79-22-13-17-43(79)57(93)74-39(24-33-27-68-36-16-11-10-14-34(33)36)53(89)76-42(28-80)56(92)72-37(18-19-46(83)84)51(87)69-31(5)49(85)71-38(20-23-98-7)52(88)70-32(6)60(96)97/h10-11,14,16,27,29-32,35,37-43,47-48,68,80H,8-9,12-13,15,17-26,28,62H2,1-7H3,(H2,63,81)(H2,64,82)(H,69,87)(H,70,88)(H,71,85)(H,72,92)(H,73,90)(H,74,93)(H,75,94)(H,76,89)(H,77,86)(H,78,91)(H,83,84)(H,96,97)(H4,65,66,67)/t29-,30-,31-,32-,35-,37-,38-,39-,40-,41-,42-,43-,47-,48-/m0/s1

InChIKey

RDQNTLHRNSOUBJ-LGNDYIHGSA-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-amino-5-(diaminomethylideneamino)pentanoyl]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-carboxyethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5496472