Nh2-met-ser-ala-gly-glu-ser-lys-his-gly-leu-thr-asn-thr-ala-ser-oh

Structural Information

Molecular Formula

C₅₉H₉₉N₁₉O₂₄S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C59H99N19O24S/c1-26(2)16-35(53(95)78-46(30(6)83)58(100)73-37(18-41(62)84)54(96)77-45(29(5)82)57(99)68-28(4)48(90)76-40(24-81)59(101)102)70-43(86)21-65-50(92)36(17-31-19-63-25-66-31)72-51(93)33(10-8-9-14-60)71-56(98)39(23-80)75-52(94)34(11-12-44(87)88)69-42(85)20-64-47(89)27(3)67-55(97)38(22-79)74-49(91)32(61)13-15-103-7/h19,25-30,32-40,45-46,79-83H,8-18,20-24,60-61H2,1-7H3,(H2,62,84)(H,63,66)(H,64,89)(H,65,92)(H,67,97)(H,68,99)(H,69,85)(H,70,86)(H,71,98)(H,72,93)(H,73,100)(H,74,91)(H,75,94)(H,76,90)(H,77,96)(H,78,95)(H,87,88)(H,101,102)/t27-,28-,29+,30+,32-,33-,34-,35-,36-,37-,38-,39-,40-,45-,46-/m0/s1

InChIKey

HHBSHTFRTGDRKM-LKVIDXDMSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5482466