Catalog Number:
AG019FRV
Chemical Name:
H-Ser-Cys-Ser-Leu-Pro-Gln-Thr-Ser-Gly-Leu-Gln-Lys-Pro-Glu-Ser-NH2
CAS Number:
258276-95-8
Molecular Formula:
C64H109N19O24S
Molecular Weight:
1560.7282
MDL Number:
MFCD01318804
IUPAC Name:
(4S)-4-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C64H109N19O24S/c1-30(2)22-38(57(100)72-34(13-16-46(67)89)54(97)75-37(10-6-7-19-65)63(106)82-20-8-11-44(82)60(103)74-36(15-18-49(92)93)55(98)77-40(26-85)51(69)94)71-48(91)24-70-53(96)41(27-86)79-62(105)50(32(5)88)81-56(99)35(14-17-47(68)90)73-61(104)45-12-9-21-83(45)64(107)39(23-31(3)4)76-58(101)42(28-87)78-59(102)43(29-108)80-52(95)33(66)25-84/h30-45,50,84-88,108H,6-29,65-66H2,1-5H3,(H2,67,89)(H2,68,90)(H2,69,94)(H,70,96)(H,71,91)(H,72,100)(H,73,104)(H,74,103)(H,75,97)(H,76,101)(H,77,98)(H,78,102)(H,79,105)(H,80,95)(H,81,99)(H,92,93)/t32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,50+/m1/s1
InChI Key:
YEHDWBRMEXDYLT-RDEOYNLOSA-N
SMILES:
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CS)CO)CC(C)C)CCC(=O)N)CO)CC(C)C)CCC(=O)N
