[w7f]12p1

Structural Information

Molecular Formula

C₆₁H₉₉N₁₇O₁₈S₂

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=CC=CC=C2)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/C61H99N17O18S2/c1-8-31(3)47(76-50(85)35(62)17-13-23-67-61(65)66)58(93)74-40(28-44(63)80)54(89)72-41(29-45(64)81)55(90)77-48(32(4)9-2)59(94)78-24-14-18-43(78)57(92)73-39(27-34-15-11-10-12-16-34)53(88)75-42(30-79)56(91)70-36(19-20-46(82)83)51(86)68-33(5)49(84)69-37(21-25-97-6)52(87)71-38(60(95)96)22-26-98-7/h10-12,15-16,31-33,35-43,47-48,79H,8-9,13-14,17-30,62H2,1-7H3,(H2,63,80)(H2,64,81)(H,68,86)(H,69,84)(H,70,91)(H,71,87)(H,72,89)(H,73,92)(H,74,93)(H,75,88)(H,76,85)(H,77,90)(H,82,83)(H,95,96)(H4,65,66,67)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42-,43-,47-,48-/m0/s1

InChIKey

XPHSHMLPTQTLDD-WZXJMTOVSA-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-phenylpropanoyl]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 5496464