[p6a]12p1

Structural Information

Molecular Formula

C₆₁H₉₈N₁₈O₁₈S₂

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)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)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](CCCN=C(N)N)N

InChI

InChI=1S/C61H98N18O18S2/c1-9-29(3)47(79-56(92)42(26-45(64)82)75-55(91)41(25-44(63)81)76-59(95)48(30(4)10-2)78-51(87)35(62)15-13-21-67-61(65)66)58(94)70-32(6)50(86)74-40(24-33-27-68-36-16-12-11-14-34(33)36)54(90)77-43(28-80)57(93)72-37(17-18-46(83)84)52(88)69-31(5)49(85)71-38(19-22-98-7)53(89)73-39(60(96)97)20-23-99-8/h11-12,14,16,27,29-32,35,37-43,47-48,68,80H,9-10,13,15,17-26,28,62H2,1-8H3,(H2,63,81)(H2,64,82)(H,69,88)(H,70,94)(H,71,85)(H,72,93)(H,73,89)(H,74,86)(H,75,91)(H,76,95)(H,77,90)(H,78,87)(H,79,92)(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

QKIASXXVKJBCPC-LGNDYIHGSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(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]amino]propanoyl]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 5496469