Edcstpssgsfldr

Structural Information

Molecular Formula

C₆₀H₉₃N₁₇O₂₆S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N)O

InChI

InChI=1S/C60H93N17O26S/c1-27(2)17-32(49(92)71-35(20-45(88)89)51(94)67-31(59(102)103)11-7-15-64-60(62)63)69-50(93)33(18-29-9-5-4-6-10-29)70-53(96)37(23-79)66-42(83)21-65-48(91)36(22-78)72-54(97)38(24-80)74-57(100)41-12-8-16-77(41)58(101)46(28(3)82)76-55(98)39(25-81)73-56(99)40(26-104)75-52(95)34(19-44(86)87)68-47(90)30(61)13-14-43(84)85/h4-6,9-10,27-28,30-41,46,78-82,104H,7-8,11-26,61H2,1-3H3,(H,65,91)(H,66,83)(H,67,94)(H,68,90)(H,69,93)(H,70,96)(H,71,92)(H,72,97)(H,73,99)(H,74,100)(H,75,95)(H,76,98)(H,84,85)(H,86,87)(H,88,89)(H,102,103)(H4,62,63,64)/t28-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,46+/m1/s1

InChIKey

VIAZXFJMGOZENR-JOTLSQCLSA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2R)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 25084603